Receptor
PDB id Resolution Class Description Source Keywords
3A7C 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF TLR2-PE-DTPA COMPLEX MUS MUSCULUS, EPTATRETUS BURGERI TOLL-LIKE RECEPTOR PE-DTPA LEUCINE RICH REPEAT CELL MEMBRCYTOPLASMIC VESICLE DISULFIDE BOND GLYCOPROTEIN IMMUNE RINFLAMMATORY RESPONSE MEMBRANE RECEPTOR TRANSMEMBRANE PHOSPHOPROTEIN IMMUNE SYSTEM
Ref.: RECOGNITION OF LIPOPEPTIDE PATTERNS BY TOLL-LIKE RE 2-TOLL-LIKE RECEPTOR 6 HETERODIMER IMMUNITY V. 31 873 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LU A:1001;
Invalid;
none;
submit data
174.967 Lu [Lu+3...
NAG A:821;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:801;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG MAN A:811;
Part of Protein;
none;
submit data n/a n/a n/a n/a
PDK A:581;
Valid;
none;
submit data
1011.18 C47 H87 N4 O17 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z81 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE TLR1-TLR2 HETERODIMER INDUCED BY BI TRI-ACYLATED LIPOPEPTIDE MUS MUSCULUS, EPTATRETUS BURGERI TLR2 PAM3CSK4 LIPOPEPTIDE INNATE IMMUNITY CYTOPLASMIC VEGLYCOPROTEIN IMMUNE RESPONSE INFLAMMATORY RESPONSE LEUCIREPEAT MEMBRANE RECEPTOR TRANSMEMBRANE IMMUNE SYSTEM
Ref.: CRYSTAL STRUCTURE OF THE TLR1-TLR2 HETERODIMER INDU BINDING OF A TRI-ACYLATED LIPOPEPTIDE CELL(CAMBRIDGE,MASS.) V. 130 1071 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 2Z81 - PCJ C54 H105 N O6 S CCCCCCCCCC....
2 3A7C - PDK C47 H87 N4 O17 P CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2Z81 - PCJ C54 H105 N O6 S CCCCCCCCCC....
2 3A7C - PDK C47 H87 N4 O17 P CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 2Z81 - PCJ C54 H105 N O6 S CCCCCCCCCC....
2 3A7C - PDK C47 H87 N4 O17 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PDK; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 PDK 1 1
2 PEF 0.577778 0.833333
3 PTY 0.577778 0.833333
4 8PE 0.577778 0.833333
5 PEH 0.577778 0.833333
6 PEV 0.577778 0.833333
7 PEE 0.571429 0.819672
8 9PE 0.571429 0.833333
9 LIO 0.55914 0.777778
10 PLD 0.55914 0.777778
11 6PL 0.55914 0.777778
12 PC7 0.55914 0.777778
13 HGX 0.55914 0.777778
14 HGP 0.55914 0.777778
15 CD4 0.549451 0.711864
16 P5S 0.542553 0.786885
17 PGT 0.537634 0.716667
18 LHG 0.537634 0.716667
19 L9Q 0.525253 0.819672
20 6OU 0.525253 0.819672
21 LOP 0.525253 0.819672
22 XP5 0.521277 0.777778
23 PX8 0.516854 0.666667
24 PX2 0.516854 0.666667
25 PCW 0.509804 0.765625
26 F57 0.505618 0.683333
27 3PH 0.505618 0.683333
28 LPP 0.505618 0.683333
29 6PH 0.505618 0.683333
30 7PH 0.505618 0.683333
31 CN3 0.50505 0.711864
32 PIF 0.50505 0.61194
33 PII 0.5 0.621212
34 ZPE 0.5 0.819672
35 PCK 0.5 0.742424
36 7P9 0.5 0.683333
37 P6L 0.495146 0.704918
38 OZ2 0.490385 0.704918
39 D3D 0.490196 0.704918
40 PGW 0.490196 0.704918
41 GP7 0.485981 0.819672
42 PIZ 0.485437 0.621212
43 PGV 0.485437 0.704918
44 DR9 0.485437 0.704918
45 CN6 0.484848 0.711864
46 DGG 0.481132 0.68254
47 PEK 0.481132 0.819672
48 PGK 0.480769 0.68254
49 PSC 0.477064 0.765625
50 P50 0.47619 0.786885
51 52N 0.475728 0.61194
52 IP9 0.475728 0.621212
53 PIO 0.475728 0.61194
54 PSF 0.46875 0.786885
55 PD7 0.466667 0.683333
56 44G 0.463158 0.716667
57 D21 0.459184 0.672131
58 M7U 0.459184 0.683333
59 B7N 0.457944 0.61194
60 CDL 0.44898 0.65
61 3PE 0.44 0.737705
62 PCF 0.431373 0.714286
63 PC1 0.431373 0.714286
64 MC3 0.431373 0.714286
65 44E 0.428571 0.683333
66 EPH 0.418803 0.819672
67 T7X 0.417391 0.61194
68 8ND 0.410526 0.633333
69 AGA 0.407767 0.688525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z81; Ligand: PCJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2z81.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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